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VBY

Summary
Name:5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Formula:C23 H22 N2 O2
Formal charge:0
Formula weight:358.433 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
OpenEye OEToolkits2.0.72-methyl-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c1c(ccc(c1)NC(\C=C)=O)C)(NC(c3cccc2c3cccc2)C)=O
InChIInChI1.03InChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyInChI1.03QMJFETCLZITVFG-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2cccc3ccccc23
SMILESCACTVS3.385C[CH](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2cccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)C=C

218853

PDB entries from 2024-04-24

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